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50458-77-0 | Isoquinoline-3-carboxaMide
CAS No: 50458-77-0 Catalog No: AG00DH3D MDL No:MFCD00160690
Product Description
Catalog Number:
AG00DH3D
Chemical Name:
Isoquinoline-3-carboxaMide
CAS Number:
50458-77-0
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD00160690
IUPAC Name:
isoquinoline-3-carboxamide
InChI:
InChI=1S/C10H8N2O/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9/h1-6H,(H2,11,13)
InChI Key:
KKSZSACCVDIWIE-UHFFFAOYSA-N
SMILES:
NC(=O)c1ncc2c(c1)cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Development of liquid chromatography-tandem mass spectrometry-based analytical assays for the determination of HIF stabilizers in preventive doping research. | Drug testing and analysis 20110101 |
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